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Substance Name: 1-Butanone, 1-(4-fluorophenyl)-3-methyl-4-(4-morpholinyl)-, (+-)-, (Z)-2-butenedioate (1:1)
RN: 36477-21-1
InChIKey: MQDHKVKDADXSQZ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H20-F-N-O2.C4-H4-O2

Molecular Weight

  • 381.398
 
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Names and Synonyms

Synonym

  • (+-)-1-(4-Fluorophenyl)-3-methyl-4-(4-morpholinyl)-1-butanone (Z)-2-butenedioate (1:1)

Systematic Name

  • 1-Butanone, 1-(4-fluorophenyl)-3-methyl-4-(4-morpholinyl)-, (+-)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 36477-21-1

System Generated Number

  • 0036477211

Molecular Formulas

Molecular Formula

  • C15-H20-F-N-O2.C4-H4-O2

Molecular Formula Fragments

  • C15-H20-F-N-O2
  • C4-H4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C15H20FNO2.C4H4O4/c1-12(11-17-6-8-19-9-7-17)10-15(18)13-2-4-14(16)5-3-13;5-3(6)1-2-4(7)8/h2-5,12H,6-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

MQDHKVKDADXSQZ-WLHGVMLRSA-N

Smiles

C(\C=C\C(=O)O)(=O)O.C(C[C@@H](CN1CCOCC1)C)(=O)c1ccc(cc1)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1009, 1971.